N,N-bis(4-methylpentyl)octadecan-1-amine

C30H63N — CID 139723718

IUPACN,N-bis(4-methylpentyl)octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN(CCCC(C)C)CCCC(C)C
InChIInChI=1S/C30H63N/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-31(27-22-24-29(2)3)28-23-25-30(4)5/h29-30H,6-28H2,1-5H3
InChIKeyVVCHZAWDZQUIBL-UHFFFAOYSA-N
MW437.84 g/mol
LogP10.42
Rot. Bonds25

About N,N-bis(4-methylpentyl)octadecan-1-amine

N,N-bis(4-methylpentyl)octadecan-1-amine (PubChem CID 139723718) has the molecular formula C30H63N and a molecular weight of 437.84 g/mol. Its IUPAC name is N,N-bis(4-methylpentyl)octadecan-1-amine.

Molecular Properties

Compound NameN,N-bis(4-methylpentyl)octadecan-1-amine
PubChem CID139723718
Molecular FormulaC30H63N
Molecular Weight437.84 g/mol
Exact Mass437.50
IUPAC NameN,N-bis(4-methylpentyl)octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN(CCCC(C)C)CCCC(C)C
InChIInChI=1S/C30H63N/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-31(27-22-24-29(2)3)28-23-25-30(4)5/h29-30H,6-28H2,1-5H3
InChIKeyVVCHZAWDZQUIBL-UHFFFAOYSA-N
XLogP10.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.84
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylpentyl)-N-octyloctan-1-amine
CID 139723154
N,N-bis(4-methylpentyl)nonan-1-amine
CID 139723744
4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine
CID 139723855
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142
13-methyl-N,N-di(tetradecyl)tetradecan-1-amine
CID 139722739
11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
CID 139722518
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
N-(12-methyltridecyl)-N-octadecyloctadecan-1-amine
CID 139723792
N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine
CID 139723116

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methylpentyl)octadecan-1-amine?
The IUPAC name of N,N-bis(4-methylpentyl)octadecan-1-amine (CID 139723718) is N,N-bis(4-methylpentyl)octadecan-1-amine.
What is the SMILES notation for N,N-bis(4-methylpentyl)octadecan-1-amine?
The canonical SMILES for N,N-bis(4-methylpentyl)octadecan-1-amine is CCCCCCCCCCCCCCCCCCN(CCCC(C)C)CCCC(C)C.
What is the InChIKey of N,N-bis(4-methylpentyl)octadecan-1-amine?
The InChIKey is VVCHZAWDZQUIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63N/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-31(27-22-24-29(2)3)28-23-25-30(4)5/h29-30H,6-28H2,1-5H3.
What are the key properties of N,N-bis(4-methylpentyl)octadecan-1-amine?
N,N-bis(4-methylpentyl)octadecan-1-amine has a molecular weight of 437.84 g/mol, XLogP of 10.42, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methylpentyl)octadecan-1-amine is sourced from PubChem (CID 139723718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).